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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:46 UTC
Update Date2025-03-21 18:35:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104873
Frequency25.8
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESCOc1ccc2c(c1)OC(O)CC2=O
InChI KeyLZBSJHLBMCETOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • ether
  • aryl alkyl ketone
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • chromone
  • aromatic heteropolycyclic compound
  • anisole
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone